methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride

C16H24ClNO2 — CID 175237922

IUPACmethyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride
SMILESCOC(=O)C(N)C(c1ccccc1)C1CCCCC1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-19-16(18)15(17)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;/h2,4-5,8-9,13-15H,3,6-7,10-11,17H2,1H3;1H
InChIKeyDWYWBLAKDWLNTJ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.27
Rot. Bonds4

About methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride

methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride (PubChem CID 175237922) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride
PubChem CID175237922
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Namemethyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride
SMILESCOC(=O)C(N)C(c1ccccc1)C1CCCCC1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-19-16(18)15(17)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;/h2,4-5,8-9,13-15H,3,6-7,10-11,17H2,1H3;1H
InChIKeyDWYWBLAKDWLNTJ-UHFFFAOYSA-N
XLogP3.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-cyclopropyl-2-methyl-3-phenylpropanoate
CID 146351173
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
[1-(cyclohexylamino)-2-methylpropan-2-yl] 2,2-diphenylacetate;hydrochloride
CID 24843488
(2R)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 81393222
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 104898224
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-2-phenylacetamide
CID 81385705
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
cyclohexyl(phenyl)methanamine
CID 11064121

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride?
The IUPAC name of methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride (CID 175237922) is methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride is COC(=O)C(N)C(c1ccccc1)C1CCCCC1.Cl.
What is the InChIKey of methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride?
The InChIKey is DWYWBLAKDWLNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-19-16(18)15(17)14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;/h2,4-5,8-9,13-15H,3,6-7,10-11,17H2,1H3;1H.
What are the key properties of methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride?
methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-cyclohexyl-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 175237922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).